| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:10 UTC |
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| Update Date | 2025-03-21 17:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004228 |
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| Frequency | 1330.6 |
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| Structure | |
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| Chemical Formula | C6H12 |
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| Molecular Mass | 84.0939 |
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| SMILES | CCC=C(C)C |
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| InChI Key | JMMZCWZIJXAGKW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | hydrocarbons |
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| Class | unsaturated hydrocarbons |
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| Subclass | branched unsaturated hydrocarbons |
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| Direct Parent | branched unsaturated hydrocarbons |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alkenesunsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundbranched unsaturated hydrocarbonalkeneunsaturated aliphatic hydrocarbonolefinacyclic olefin |
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